2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzo[f]chromen-3-one

Systemtic Name: 2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzo[f]chromen-3-one Openeye Name: 2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzo[f]chromen-3-one CAS Name: 2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3-benzo[f][1]benzopyranone IUPAC Name: 2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzo[f]chromen-3-one Traditional Name: 2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetyl]benzo[f]chromen-3-one Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O

Isomeric SMILES

CC1=NC(=NN1)SCC(=O)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O

InChI

InChI=1S/C18H13N3O3S/c1-10-19-18(21-20-10)25-9-15(22)14-8-13-12-5-3-2-4-11(12)6-7-16(13)24-17(14)23/h2-8H,9H2,1H3,(H,19,20,21)